$Number_of_Clusters = 39 $Seed = -1985 $Leader_Info 1 { Num_Members = 60 Total_Energy = 76.086 vdW = -27.489 Coulomb = -34.953 Internal = 138.528 rmsd = 0.000 } $Leader_Info 2 { Num_Members = 44 Total_Energy = 79.020 vdW = -25.488 Coulomb = -34.637 Internal = 139.145 rmsd = 3.060 } $Leader_Info 3 { Num_Members = 38 Total_Energy = 80.134 vdW = -20.604 Coulomb = -37.444 Internal = 138.182 rmsd = 1.399 } $Leader_Info 4 { Num_Members = 45 Total_Energy = 81.029 vdW = -27.886 Coulomb = -35.020 Internal = 143.935 rmsd = 3.197 } $Leader_Info 5 { Num_Members = 19 Total_Energy = 83.822 vdW = -25.845 Coulomb = -32.534 Internal = 142.201 rmsd = 1.250 } $Leader_Info 6 { Num_Members = 44 Total_Energy = 84.108 vdW = -24.717 Coulomb = -31.634 Internal = 140.459 rmsd = 2.917 } $Leader_Info 7 { Num_Members = 23 Total_Energy = 85.489 vdW = -21.600 Coulomb = -32.198 Internal = 139.287 rmsd = 3.016 } $Leader_Info 8 { Num_Members = 1 Total_Energy = 87.505 vdW = -22.490 Coulomb = -30.955 Internal = 140.951 rmsd = 1.180 } $Leader_Info 9 { Num_Members = 44 Total_Energy = 89.691 vdW = -17.580 Coulomb = -38.275 Internal = 145.547 rmsd = 2.720 } $Leader_Info 10 { Num_Members = 37 Total_Energy = 91.616 vdW = -22.873 Coulomb = -34.153 Internal = 148.643 rmsd = 3.262 } $Leader_Info 11 { Num_Members = 43 Total_Energy = 91.675 vdW = -24.966 Coulomb = -34.568 Internal = 151.209 rmsd = 2.136 } $Leader_Info 12 { Num_Members = 44 Total_Energy = 91.898 vdW = -25.123 Coulomb = -36.094 Internal = 153.115 rmsd = 2.155 } $Leader_Info 13 { Num_Members = 35 Total_Energy = 92.380 vdW = -18.964 Coulomb = -35.002 Internal = 146.346 rmsd = 1.906 } $Leader_Info 14 { Num_Members = 32 Total_Energy = 92.402 vdW = -17.803 Coulomb = -36.591 Internal = 146.796 rmsd = 2.015 } $Leader_Info 15 { Num_Members = 45 Total_Energy = 92.964 vdW = -20.799 Coulomb = -33.488 Internal = 147.251 rmsd = 3.530 } $Leader_Info 16 { Num_Members = 9 Total_Energy = 94.950 vdW = -12.617 Coulomb = -35.758 Internal = 143.325 rmsd = 3.295 } $Leader_Info 17 { Num_Members = 39 Total_Energy = 95.121 vdW = -25.903 Coulomb = -18.943 Internal = 139.967 rmsd = 1.403 } $Leader_Info 18 { Num_Members = 13 Total_Energy = 96.100 vdW = -12.917 Coulomb = -35.670 Internal = 144.687 rmsd = 2.941 } $Leader_Info 19 { Num_Members = 12 Total_Energy = 96.170 vdW = -15.422 Coulomb = -34.149 Internal = 145.741 rmsd = 1.761 } $Leader_Info 20 { Num_Members = 35 Total_Energy = 96.537 vdW = -23.041 Coulomb = -28.794 Internal = 148.372 rmsd = 3.034 } $Leader_Info 21 { Num_Members = 5 Total_Energy = 97.265 vdW = -21.153 Coulomb = -31.512 Internal = 149.930 rmsd = 3.191 } $Leader_Info 22 { Num_Members = 21 Total_Energy = 97.953 vdW = -24.467 Coulomb = -30.145 Internal = 152.565 rmsd = 1.257 } $Leader_Info 23 { Num_Members = 8 Total_Energy = 98.316 vdW = -25.827 Coulomb = -30.193 Internal = 154.337 rmsd = 2.190 } $Leader_Info 24 { Num_Members = 5 Total_Energy = 98.350 vdW = -23.245 Coulomb = -24.405 Internal = 146.000 rmsd = 3.783 } $Leader_Info 25 { Num_Members = 33 Total_Energy = 98.379 vdW = -19.064 Coulomb = -30.599 Internal = 148.042 rmsd = 2.637 } $Leader_Info 26 { Num_Members = 3 Total_Energy = 99.202 vdW = -12.242 Coulomb = -36.623 Internal = 148.066 rmsd = 2.362 } $Leader_Info 27 { Num_Members = 19 Total_Energy = 99.746 vdW = -26.026 Coulomb = -28.523 Internal = 154.295 rmsd = 1.239 } $Leader_Info 28 { Num_Members = 45 Total_Energy = 100.140 vdW = -20.091 Coulomb = -28.625 Internal = 148.856 rmsd = 1.877 } $Leader_Info 29 { Num_Members = 42 Total_Energy = 101.252 vdW = -14.583 Coulomb = -30.979 Internal = 146.815 rmsd = 2.278 } $Leader_Info 30 { Num_Members = 33 Total_Energy = 101.454 vdW = -20.656 Coulomb = -30.072 Internal = 152.182 rmsd = 3.236 } $Leader_Info 31 { Num_Members = 4 Total_Energy = 102.891 vdW = -17.387 Coulomb = -33.016 Internal = 153.293 rmsd = 2.514 } $Leader_Info 32 { Num_Members = 8 Total_Energy = 103.020 vdW = -21.697 Coulomb = -26.501 Internal = 151.218 rmsd = 3.176 } $Leader_Info 33 { Num_Members = 30 Total_Energy = 110.630 vdW = -10.157 Coulomb = -28.270 Internal = 149.057 rmsd = 3.307 } $Leader_Info 34 { Num_Members = 2 Total_Energy = 110.662 vdW = -15.273 Coulomb = -29.884 Internal = 155.820 rmsd = 1.731 } $Leader_Info 35 { Num_Members = 7 Total_Energy = 111.270 vdW = -16.533 Coulomb = -31.926 Internal = 159.729 rmsd = 2.078 } $Leader_Info 36 { Num_Members = 11 Total_Energy = 111.426 vdW = -16.696 Coulomb = -29.898 Internal = 158.020 rmsd = 1.731 } $Leader_Info 37 { Num_Members = 27 Total_Energy = 112.186 vdW = -11.412 Coulomb = -24.314 Internal = 147.913 rmsd = 3.917 } $Leader_Info 38 { Num_Members = 19 Total_Energy = 114.001 vdW = -20.759 Coulomb = -30.702 Internal = 165.461 rmsd = 3.241 } $Leader_Info 39 { Num_Members = 16 Total_Energy = 116.933 vdW = -14.713 Coulomb = -15.694 Internal = 147.340 rmsd = 3.493 }